SCHEMBL23809509

SCHEMBL23809509

COCCn1cc(C(C)C)c2cc(-c3ncn(CCN4CCOCC4)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ SLC5A7 Q9GZV3 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ ICMT O60725 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23809288 0.92 MCL1 (0.43) MCL1GSK3BQPCTICMT
SCHEMBL26581627 0.88 MCL1 (0.48) MCL1CNR2PTGER4KDM4EALDH1A1
SCHEMBL20604991 0.87 MCL1 (0.45) MCL1CNR2PTGER4KDM4EALDH1A1
SCHEMBL26581752 0.84 MCL1 (0.45) MCL1CNR2PTGER4SYKGSK3B
SCHEMBL23809414 0.84 HTR1A (0.42) MCL1MEN1KMT2ACNR2KDM4E
SCHEMBL20604843 0.84 MCL1 (0.42) MCL1CNR2PTGER4KDM4EALDH1A1
SCHEMBL23809422 0.83 MCL1 (0.43) MCL1PTGER4ICMT
SCHEMBL26581608 0.80 MCL1 (0.48) MCL1MEN1KMT2AGSK3BQPCT
SCHEMBL23800568 0.79 MCL1 (0.44) MCL1GSK3BQPCTICMT
SCHEMBL23809476 0.79 ICMT (0.41) MEN1KMT2ACNR2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MCL1 1/4885MEN1 3549/4885KMT2A 824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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